7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C14H22N6O — CID 79117674

IUPAC7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCN(c1cc2n[nH]c(=O)n2cn1)C1CCC(N)CC1
InChIInChI=1S/C14H22N6O/c1-2-7-19(11-5-3-10(15)4-6-11)12-8-13-17-18-14(21)20(13)9-16-12/h8-11H,2-7,15H2,1H3,(H,18,21)
InChIKeyMPSFRKOAKWTVLV-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.90
Rot. Bonds4

About 7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 79117674) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID79117674
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCN(c1cc2n[nH]c(=O)n2cn1)C1CCC(N)CC1
InChIInChI=1S/C14H22N6O/c1-2-7-19(11-5-3-10(15)4-6-11)12-8-13-17-18-14(21)20(13)9-16-12/h8-11H,2-7,15H2,1H3,(H,18,21)
InChIKeyMPSFRKOAKWTVLV-UHFFFAOYSA-N
XLogP0.90
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-[2-bromoethyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 80668194
7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106641194
7-[2-aminoethyl(butyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284505
7-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281750
7-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283513
7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106641853
7-[piperidin-4-ylmethyl(propan-2-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 79704125
4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79111824
4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136978638
6-[(4-aminocyclohexyl)-propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 79117677
4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79111682
4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112114

Frequently Asked Questions

What is the IUPAC name of 7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 79117674) is 7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCCN(c1cc2n[nH]c(=O)n2cn1)C1CCC(N)CC1.
What is the InChIKey of 7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is MPSFRKOAKWTVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-2-7-19(11-5-3-10(15)4-6-11)12-8-13-17-18-14(21)20(13)9-16-12/h8-11H,2-7,15H2,1H3,(H,18,21).
What are the key properties of 7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 79117674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).