2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C13H19N7 — CID 80769428

IUPAC2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCC2CC2)nc(-n2cccn2)n1
InChIInChI=1S/C13H19N7/c1-2-6-14-11-17-12(15-9-10-4-5-10)19-13(18-11)20-8-3-7-16-20/h3,7-8,10H,2,4-6,9H2,1H3,(H2,14,15,17,18,19)
InChIKeyBSTLVISILKSSBM-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.70
Rot. Bonds7

About 2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80769428) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80769428
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCC2CC2)nc(-n2cccn2)n1
InChIInChI=1S/C13H19N7/c1-2-6-14-11-17-12(15-9-10-4-5-10)19-13(18-11)20-8-3-7-16-20/h3,7-8,10H,2,4-6,9H2,1H3,(H2,14,15,17,18,19)
InChIKeyBSTLVISILKSSBM-UHFFFAOYSA-N
XLogP1.70
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782523
2-N-(2-cyclopropylethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846875
2-N-tert-butyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80767982
3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80832734
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784120
4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80843543
4-N-methyl-2-N-(oxolan-3-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80823144
4-[(E)-but-2-enoxy]-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80873212
2-N-(oxan-4-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846232
2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80827140
4-(2-methylpropylsulfanyl)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80892924

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80769428) is 2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NCC2CC2)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is BSTLVISILKSSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-2-6-14-11-17-12(15-9-10-4-5-10)19-13(18-11)20-8-3-7-16-20/h3,7-8,10H,2,4-6,9H2,1H3,(H2,14,15,17,18,19).
What are the key properties of 2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80769428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).