N',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine

C16H29N7 — CID 10041646

IUPACN',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine
SMILESCNc1nc(C)nc2c(CCCCCNCCN(C)C)cnn12
InChIInChI=1S/C16H29N7/c1-13-20-15-14(12-19-23(15)16(17-2)21-13)8-6-5-7-9-18-10-11-22(3)4/h12,18H,5-11H2,1-4H3,(H,17,20,21)
InChIKeyBIEDZNUMPGJYOO-UHFFFAOYSA-N
MW319.46 g/mol
LogP1.34
Rot. Bonds10

About N',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine

N',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine (PubChem CID 10041646) has the molecular formula C16H29N7 and a molecular weight of 319.46 g/mol. Its IUPAC name is N',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine
PubChem CID10041646
Molecular FormulaC16H29N7
Molecular Weight319.46 g/mol
Exact Mass319.25
IUPAC NameN',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine
SMILESCNc1nc(C)nc2c(CCCCCNCCN(C)C)cnn12
InChIInChI=1S/C16H29N7/c1-13-20-15-14(12-19-23(15)16(17-2)21-13)8-6-5-7-9-18-10-11-22(3)4/h12,18H,5-11H2,1-4H3,(H,17,20,21)
InChIKeyBIEDZNUMPGJYOO-UHFFFAOYSA-N
XLogP1.34
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-methyl-N-[1-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50964673
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
2-Piperazin-1-yl-3-(2,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 89810595
2-Piperazin-1-yl-3-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 89810597
N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide
CID 91058059
N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 141150483
N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141267635
N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 142791630
4-Nonyl-1-pyrimidin-2-ylpyrazol-5-amine
CID 14306848
3-{[1,2,4]Triazolo[1,5-a]pyrimidin-6-yl}propan-1-amine
CID 71778069
1-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine
CID 84728419
3-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine
CID 84728421

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine (CID 10041646) is N',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine is CNc1nc(C)nc2c(CCCCCNCCN(C)C)cnn12.
What is the InChIKey of N',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine?
The InChIKey is BIEDZNUMPGJYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N7/c1-13-20-15-14(12-19-23(15)16(17-2)21-13)8-6-5-7-9-18-10-11-22(3)4/h12,18H,5-11H2,1-4H3,(H,17,20,21).
What are the key properties of N',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine has a molecular weight of 319.46 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine is sourced from PubChem (CID 10041646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).