N,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine

C15H24N8 — CID 97261572

IUPACN,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CCCC[C@H]2c2ncn[nH]2)n1
InChIInChI=1S/C15H24N8/c1-10(2)12-18-14(22(3)4)20-15(19-12)23-8-6-5-7-11(23)13-16-9-17-21-13/h9-11H,5-8H2,1-4H3,(H,16,17,21)/t11-/m0/s1
InChIKeyUCBSLEDEKNLMEO-NSHDSACASA-N
MW316.41 g/mol
LogP1.91
Rot. Bonds4

About N,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine

N,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 97261572) has the molecular formula C15H24N8 and a molecular weight of 316.41 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID97261572
Molecular FormulaC15H24N8
Molecular Weight316.41 g/mol
Exact Mass316.21
IUPAC NameN,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CCCC[C@H]2c2ncn[nH]2)n1
InChIInChI=1S/C15H24N8/c1-10(2)12-18-14(22(3)4)20-15(19-12)23-8-6-5-7-11(23)13-16-9-17-21-13/h9-11H,5-8H2,1-4H3,(H,16,17,21)/t11-/m0/s1
InChIKeyUCBSLEDEKNLMEO-NSHDSACASA-N
XLogP1.91
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine (CID 97261572) is N,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine is CC(C)c1nc(N(C)C)nc(N2CCCC[C@H]2c2ncn[nH]2)n1.
What is the InChIKey of N,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is UCBSLEDEKNLMEO-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N8/c1-10(2)12-18-14(22(3)4)20-15(19-12)23-8-6-5-7-11(23)13-16-9-17-21-13/h9-11H,5-8H2,1-4H3,(H,16,17,21)/t11-/m0/s1.
What are the key properties of N,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine?
N,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 316.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 97261572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).