N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H21N5 — CID 133285786

IUPACN-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(CCC(C)C)C2CC2)n2ncnc2n1
InChIInChI=1S/C14H21N5/c1-10(2)6-7-18(12-4-5-12)13-8-11(3)17-14-15-9-16-19(13)14/h8-10,12H,4-7H2,1-3H3
InChIKeyQWXOIGQDYJTDGF-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.45
Rot. Bonds5

About N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133285786) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133285786
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(CCC(C)C)C2CC2)n2ncnc2n1
InChIInChI=1S/C14H21N5/c1-10(2)6-7-18(12-4-5-12)13-8-11(3)17-14-15-9-16-19(13)14/h8-10,12H,4-7H2,1-3H3
InChIKeyQWXOIGQDYJTDGF-UHFFFAOYSA-N
XLogP2.45
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 61147154
N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 80667794
2-[cyclopentyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 54998670
N'-cyclohexyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 63764931
N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63392205
4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one
CID 79120607
N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62588189
2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
CID 63065023
2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 115765238
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107490073
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62592638
5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918898

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133285786) is N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(CCC(C)C)C2CC2)n2ncnc2n1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QWXOIGQDYJTDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10(2)6-7-18(12-4-5-12)13-8-11(3)17-14-15-9-16-19(13)14/h8-10,12H,4-7H2,1-3H3.
What are the key properties of N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 259.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133285786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).