4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C12H18N8 — CID 80857869

IUPAC4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CCCC2)nc(-n2nc(C)nc2C)n1
InChIInChI=1S/C12H18N8/c1-8-14-9(2)20(18-8)12-16-10(13-3)15-11(17-12)19-6-4-5-7-19/h4-7H2,1-3H3,(H,13,15,16,17)
InChIKeyVFCPNNZWMFYUDT-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.71
Rot. Bonds3

About 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80857869) has the molecular formula C12H18N8 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80857869
Molecular FormulaC12H18N8
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CCCC2)nc(-n2nc(C)nc2C)n1
InChIInChI=1S/C12H18N8/c1-8-14-9(2)20(18-8)12-16-10(13-3)15-11(17-12)19-6-4-5-7-19/h4-7H2,1-3H3,(H,13,15,16,17)
InChIKeyVFCPNNZWMFYUDT-UHFFFAOYSA-N
XLogP0.71
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 80857691
1-[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 80749464
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80857692
2-N,4-N,4-N-trimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80764986
3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 103358954
N-methyl-4-(2-methylmorpholin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80763829
2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80818552
N-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80894979
N-propan-2-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 623866
4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80867983
4-N-methyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770344
4-N-methyl-6-piperidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80785798

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80857869) is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CNc1nc(N2CCCC2)nc(-n2nc(C)nc2C)n1.
What is the InChIKey of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is VFCPNNZWMFYUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8/c1-8-14-9(2)20(18-8)12-16-10(13-3)15-11(17-12)19-6-4-5-7-19/h4-7H2,1-3H3,(H,13,15,16,17).
What are the key properties of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 274.33 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80857869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).