7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C14H20N6O — CID 106641194

IUPAC7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(N(CC3CCCCN3)C3CC3)ncn12
InChIInChI=1S/C14H20N6O/c21-14-18-17-13-7-12(16-9-20(13)14)19(11-4-5-11)8-10-3-1-2-6-15-10/h7,9-11,15H,1-6,8H2,(H,18,21)
InChIKeyMFKRDKRLPCODCW-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.53
Rot. Bonds4

About 7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 106641194) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID106641194
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(N(CC3CCCCN3)C3CC3)ncn12
InChIInChI=1S/C14H20N6O/c21-14-18-17-13-7-12(16-9-20(13)14)19(11-4-5-11)8-10-3-1-2-6-15-10/h7,9-11,15H,1-6,8H2,(H,18,21)
InChIKeyMFKRDKRLPCODCW-UHFFFAOYSA-N
XLogP0.53
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

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Related Compounds

7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106641853
7-[2-bromoethyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 80668194
7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 79117674
7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114794454
N-cyclopropyl-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 106641229
6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 106641943
7-[piperidin-4-ylmethyl(propan-2-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 79704125
N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106600259
5-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106640995
7-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281750
N-cyclopropyl-N-(piperidin-2-ylmethyl)quinoxalin-2-amine
CID 106641225
N-cyclopropyl-5-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106600034

Frequently Asked Questions

What is the IUPAC name of 7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 106641194) is 7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is O=c1[nH]nc2cc(N(CC3CCCCN3)C3CC3)ncn12.
What is the InChIKey of 7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is MFKRDKRLPCODCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c21-14-18-17-13-7-12(16-9-20(13)14)19(11-4-5-11)8-10-3-1-2-6-15-10/h7,9-11,15H,1-6,8H2,(H,18,21).
What are the key properties of 7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 288.35 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 106641194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).