2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine

C13H23N9 — CID 99626882

IUPAC2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(N(C)C)nc(N(C)C[C@@H](C)c2nn[nH]n2)n1
InChIInChI=1S/C13H23N9/c1-8(2)10-14-12(21(4)5)16-13(15-10)22(6)7-9(3)11-17-19-20-18-11/h8-9H,7H2,1-6H3,(H,17,18,19,20)/t9-/m1/s1
InChIKeySDGWNSJKOKUOOX-SECBINFHSA-N
MW305.39 g/mol
LogP0.81
Rot. Bonds6

About 2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine

2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine (PubChem CID 99626882) has the molecular formula C13H23N9 and a molecular weight of 305.39 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine
PubChem CID99626882
Molecular FormulaC13H23N9
Molecular Weight305.39 g/mol
Exact Mass305.21
IUPAC Name2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(N(C)C)nc(N(C)C[C@@H](C)c2nn[nH]n2)n1
InChIInChI=1S/C13H23N9/c1-8(2)10-14-12(21(4)5)16-13(15-10)22(6)7-9(3)11-17-19-20-18-11/h8-9H,7H2,1-6H3,(H,17,18,19,20)/t9-/m1/s1
InChIKeySDGWNSJKOKUOOX-SECBINFHSA-N
XLogP0.81
TPSA99.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine (CID 99626882) is 2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine is CC(C)c1nc(N(C)C)nc(N(C)C[C@@H](C)c2nn[nH]n2)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SDGWNSJKOKUOOX-SECBINFHSA-N. The full InChI is InChI=1S/C13H23N9/c1-8(2)10-14-12(21(4)5)16-13(15-10)22(6)7-9(3)11-17-19-20-18-11/h8-9H,7H2,1-6H3,(H,17,18,19,20)/t9-/m1/s1.
What are the key properties of 2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine?
2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 305.39 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 99626882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).